3-pyridin-2-yl-N-[(3R)-6-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide

C22H19F3N4O3 — CID 152508142

IUPAC3-pyridin-2-yl-N-[(3R)-6-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
SMILESO=C(N[C@H]1COc2ccc(C(F)(F)F)cc2C1)c1nn2c(c1-c1ccccn1)COCC2
InChIInChI=1S/C22H19F3N4O3/c23-22(24,25)14-4-5-18-13(9-14)10-15(11-32-18)27-21(30)20-19(16-3-1-2-6-26-16)17-12-31-8-7-29(17)28-20/h1-6,9,15H,7-8,10-12H2,(H,27,30)/t15-/m1/s1
InChIKeyYEXJEOZNUSBJQX-OAHLLOKOSA-N
MW444.41 g/mol
LogP3.23
Rot. Bonds3

About 3-pyridin-2-yl-N-[(3R)-6-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide

3-pyridin-2-yl-N-[(3R)-6-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide (PubChem CID 152508142) has the molecular formula C22H19F3N4O3 and a molecular weight of 444.41 g/mol. Its IUPAC name is 3-pyridin-2-yl-N-[(3R)-6-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide.

Molecular Properties

Compound Name3-pyridin-2-yl-N-[(3R)-6-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
PubChem CID152508142
Molecular FormulaC22H19F3N4O3
Molecular Weight444.41 g/mol
Exact Mass444.14
IUPAC Name3-pyridin-2-yl-N-[(3R)-6-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
SMILESO=C(N[C@H]1COc2ccc(C(F)(F)F)cc2C1)c1nn2c(c1-c1ccccn1)COCC2
InChIInChI=1S/C22H19F3N4O3/c23-22(24,25)14-4-5-18-13(9-14)10-15(11-32-18)27-21(30)20-19(16-3-1-2-6-26-16)17-12-31-8-7-29(17)28-20/h1-6,9,15H,7-8,10-12H2,(H,27,30)/t15-/m1/s1
InChIKeyYEXJEOZNUSBJQX-OAHLLOKOSA-N
XLogP3.23
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.41
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-pyridin-2-yl-N-[(3R)-6-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide?
The IUPAC name of 3-pyridin-2-yl-N-[(3R)-6-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide (CID 152508142) is 3-pyridin-2-yl-N-[(3R)-6-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide.
What is the SMILES notation for 3-pyridin-2-yl-N-[(3R)-6-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide?
The canonical SMILES for 3-pyridin-2-yl-N-[(3R)-6-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide is O=C(N[C@H]1COc2ccc(C(F)(F)F)cc2C1)c1nn2c(c1-c1ccccn1)COCC2.
What is the InChIKey of 3-pyridin-2-yl-N-[(3R)-6-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide?
The InChIKey is YEXJEOZNUSBJQX-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H19F3N4O3/c23-22(24,25)14-4-5-18-13(9-14)10-15(11-32-18)27-21(30)20-19(16-3-1-2-6-26-16)17-12-31-8-7-29(17)28-20/h1-6,9,15H,7-8,10-12H2,(H,27,30)/t15-/m1/s1.
What are the key properties of 3-pyridin-2-yl-N-[(3R)-6-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide?
3-pyridin-2-yl-N-[(3R)-6-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide has a molecular weight of 444.41 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-2-yl-N-[(3R)-6-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide is sourced from PubChem (CID 152508142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).